1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C20H17FN4O5S — CID 43977348

IUPAC1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H17FN4O5S/c1-31(28,29)16-8-2-12(3-9-16)19-23-24-20(30-19)22-18(27)13-10-17(26)25(11-13)15-6-4-14(21)5-7-15/h2-9,13H,10-11H2,1H3,(H,22,24,27)
InChIKeyJSTTYETVUFLLKO-UHFFFAOYSA-N
MW444.44 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43977348) has the molecular formula C20H17FN4O5S and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43977348
Molecular FormulaC20H17FN4O5S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H17FN4O5S/c1-31(28,29)16-8-2-12(3-9-16)19-23-24-20(30-19)22-18(27)13-10-17(26)25(11-13)15-6-4-14(21)5-7-15/h2-9,13H,10-11H2,1H3,(H,22,24,27)
InChIKeyJSTTYETVUFLLKO-UHFFFAOYSA-N
XLogP2.27
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
methyl 5-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
CID 29131913
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9071839
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26213308
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 90543645
5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 92898323
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 43977348) is 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JSTTYETVUFLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O5S/c1-31(28,29)16-8-2-12(3-9-16)19-23-24-20(30-19)22-18(27)13-10-17(26)25(11-13)15-6-4-14(21)5-7-15/h2-9,13H,10-11H2,1H3,(H,22,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43977348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).